[4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol

C24H17N7O — CID 171599493

IUPAC[4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILES[C-]#[N+]c1cncc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO)cc4)c3n2)c1
InChIInChI=1S/C24H17N7O/c1-26-17-11-16(12-27-13-17)20-8-9-21-24(29-20)31(18-6-4-15(14-32)5-7-18)23(30-21)19-3-2-10-28-22(19)25/h2-13,32H,14H2,(H2,25,28)
InChIKeyBHTXTIRCAPYBIA-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.17
Rot. Bonds4

About [4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol

[4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (PubChem CID 171599493) has the molecular formula C24H17N7O and a molecular weight of 419.45 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
PubChem CID171599493
Molecular FormulaC24H17N7O
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC Name[4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILES[C-]#[N+]c1cncc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO)cc4)c3n2)c1
InChIInChI=1S/C24H17N7O/c1-26-17-11-16(12-27-13-17)20-8-9-21-24(29-20)31(18-6-4-15(14-32)5-7-18)23(30-21)19-3-2-10-28-22(19)25/h2-13,32H,14H2,(H2,25,28)
InChIKeyBHTXTIRCAPYBIA-UHFFFAOYSA-N
XLogP4.17
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171493964
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
3-[3-[4-(chloromethyl)phenyl]-5-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171599525
3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171493895
[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol
CID 171599320
[4-[2-(2-amino-3-pyridinyl)-5-[2-(fluoromethyl)triazol-4-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;ethane
CID 171495487
[4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495357
[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495649
[4-[2-(2-amino-3-pyridinyl)-5-(fluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171494619
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 174235787
2-[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
CID 58344924

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (CID 171599493) is [4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is [C-]#[N+]c1cncc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO)cc4)c3n2)c1.
What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The InChIKey is BHTXTIRCAPYBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O/c1-26-17-11-16(12-27-13-17)20-8-9-21-24(29-20)31(18-6-4-15(14-32)5-7-18)23(30-21)19-3-2-10-28-22(19)25/h2-13,32H,14H2,(H2,25,28).
What are the key properties of [4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
[4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol has a molecular weight of 419.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 171599493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).